############################## # Heteronuclear NOE values # ############################## save_heteronuclear_noe_list_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_list_1 _Heteronucl_NOE_list.Entry_ID 16360 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 400 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 2.00E+05 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 13 '2D 1H-15N HSQC based NOE' . . . 16360 1 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 3 2 3 3 GLU H H 1 . 3 2 3 3 GLU N N 15 0.9142 0.0813 . . . 3 GLU H . 3 GLU N 16360 1 2 . 3 2 4 4 LEU H H 1 . 3 2 4 4 LEU N N 15 0.878 0.0347 . . . 4 LEU H . 4 LEU N 16360 1 3 . 3 2 5 5 GLU H H 1 . 3 2 5 5 GLU N N 15 0.7787 0.0341 . . . 5 GLU H . 5 GLU N 16360 1 4 . 3 2 6 6 THR H H 1 . 3 2 6 6 THR N N 15 0.7557 0.035 . . . 6 THR H . 6 THR N 16360 1 5 . 3 2 7 7 ALA H H 1 . 3 2 7 7 ALA N N 15 0.8204 0.0265 . . . 7 ALA H . 7 ALA N 16360 1 6 . 3 2 8 8 MET H H 1 . 3 2 8 8 MET N N 15 0.7781 0.0282 . . . 8 MET H . 8 MET N 16360 1 7 . 3 2 12 12 ILE H H 1 . 3 2 12 12 ILE N N 15 0.8518 0.0374 . . . 12 ILE H . 12 ILE N 16360 1 8 . 3 2 15 15 PHE H H 1 . 3 2 15 15 PHE N N 15 0.8091 0.0259 . . . 15 PHE H . 15 PHE N 16360 1 9 . 3 2 16 16 HIS H H 1 . 3 2 16 16 HIS N N 15 0.8018 0.0321 . . . 16 HIS H . 16 HIS N 16360 1 10 . 3 2 17 17 ALA H H 1 . 3 2 17 17 ALA N N 15 0.7321 0.0192 . . . 17 ALA H . 17 ALA N 16360 1 11 . 3 2 19 19 SER H H 1 . 3 2 19 19 SER N N 15 1.0303 0.0809 . . . 19 SER H . 19 SER N 16360 1 12 . 3 2 20 20 GLY H H 1 . 3 2 20 20 GLY N N 15 0.7466 0.0273 . . . 20 GLY H . 20 GLY N 16360 1 13 . 3 2 22 22 GLU H H 1 . 3 2 22 22 GLU N N 15 0.7211 0.0328 . . . 22 GLU H . 22 GLU N 16360 1 14 . 3 2 23 23 GLY H H 1 . 3 2 23 23 GLY N N 15 0.5871 0.0308 . . . 23 GLY H . 23 GLY N 16360 1 15 . 3 2 25 25 LYS H H 1 . 3 2 25 25 LYS N N 15 0.7103 0.0366 . . . 25 LYS H . 25 LYS N 16360 1 16 . 3 2 26 26 TYR H H 1 . 3 2 26 26 TYR N N 15 0.7618 0.0274 . . . 26 TYR H . 26 TYR N 16360 1 17 . 3 2 27 27 LYS H H 1 . 3 2 27 27 LYS N N 15 0.7302 0.0192 . . . 27 LYS H . 27 LYS N 16360 1 18 . 3 2 28 28 LEU H H 1 . 3 2 28 28 LEU N N 15 0.7293 0.0292 . . . 28 LEU H . 28 LEU N 16360 1 19 . 3 2 29 29 SER H H 1 . 3 2 29 29 SER N N 15 0.6303 0.0226 . . . 29 SER H . 29 SER N 16360 1 20 . 3 2 30 30 LYS H H 1 . 3 2 30 30 LYS N N 15 0.7728 0.0325 . . . 30 LYS H . 30 LYS N 16360 1 21 . 3 2 31 31 LYS H H 1 . 3 2 31 31 LYS N N 15 0.791 0.0186 . . . 31 LYS H . 31 LYS N 16360 1 22 . 3 2 34 34 LYS H H 1 . 3 2 34 34 LYS N N 15 0.7391 0.0208 . . . 34 LYS H . 34 LYS N 16360 1 23 . 3 2 35 35 GLU H H 1 . 3 2 35 35 GLU N N 15 0.812 0.0227 . . . 35 GLU H . 35 GLU N 16360 1 24 . 3 2 36 36 LEU H H 1 . 3 2 36 36 LEU N N 15 0.7841 0.0218 . . . 36 LEU H . 36 LEU N 16360 1 25 . 3 2 37 37 LEU H H 1 . 3 2 37 37 LEU N N 15 0.7348 0.0247 . . . 37 LEU H . 37 LEU N 16360 1 26 . 3 2 38 38 GLN H H 1 . 3 2 38 38 GLN N N 15 0.765 0.0234 . . . 38 GLN H . 38 GLN N 16360 1 27 . 3 2 39 39 THR H H 1 . 3 2 39 39 THR N N 15 0.8107 0.0231 . . . 39 THR H . 39 THR N 16360 1 28 . 3 2 41 41 LEU H H 1 . 3 2 41 41 LEU N N 15 0.739 0.0263 . . . 41 LEU H . 41 LEU N 16360 1 29 . 3 2 42 42 SER H H 1 . 3 2 42 42 SER N N 15 0.6997 0.0189 . . . 42 SER H . 42 SER N 16360 1 30 . 3 2 43 43 GLY H H 1 . 3 2 43 43 GLY N N 15 0.8126 0.052 . . . 43 GLY H . 43 GLY N 16360 1 31 . 3 2 45 45 LEU H H 1 . 3 2 45 45 LEU N N 15 0.762 0.0331 . . . 45 LEU H . 45 LEU N 16360 1 32 . 3 2 46 46 ASP H H 1 . 3 2 46 46 ASP N N 15 0.7653 0.0176 . . . 46 ASP H . 46 ASP N 16360 1 33 . 3 2 47 47 ALA H H 1 . 3 2 47 47 ALA N N 15 0.7439 0.0194 . . . 47 ALA H . 47 ALA N 16360 1 34 . 3 2 48 48 GLN H H 1 . 3 2 48 48 GLN N N 15 0.6011 0.0149 . . . 48 GLN H . 48 GLN N 16360 1 35 . 3 2 51 51 VAL H H 1 . 3 2 51 51 VAL N N 15 0.7712 0.018 . . . 51 VAL H . 51 VAL N 16360 1 36 . 3 2 52 52 ASP H H 1 . 3 2 52 52 ASP N N 15 0.7632 0.0157 . . . 52 ASP H . 52 ASP N 16360 1 37 . 3 2 53 53 ALA H H 1 . 3 2 53 53 ALA N N 15 0.6933 0.0159 . . . 53 ALA H . 53 ALA N 16360 1 38 . 3 2 54 54 VAL H H 1 . 3 2 54 54 VAL N N 15 0.7027 0.0195 . . . 54 VAL H . 54 VAL N 16360 1 39 . 3 2 55 55 ASP H H 1 . 3 2 55 55 ASP N N 15 0.7293 0.017 . . . 55 ASP H . 55 ASP N 16360 1 40 . 3 2 56 56 LYS H H 1 . 3 2 56 56 LYS N N 15 0.6827 0.0153 . . . 56 LYS H . 56 LYS N 16360 1 41 . 3 2 58 58 MET H H 1 . 3 2 58 58 MET N N 15 0.7928 0.0241 . . . 58 MET H . 58 MET N 16360 1 42 . 3 2 59 59 LYS H H 1 . 3 2 59 59 LYS N N 15 0.7427 0.0171 . . . 59 LYS H . 59 LYS N 16360 1 43 . 3 2 60 60 GLU H H 1 . 3 2 60 60 GLU N N 15 0.7054 0.0163 . . . 60 GLU H . 60 GLU N 16360 1 44 . 3 2 61 61 LEU H H 1 . 3 2 61 61 LEU N N 15 0.7495 0.0235 . . . 61 LEU H . 61 LEU N 16360 1 45 . 3 2 62 62 ASP H H 1 . 3 2 62 62 ASP N N 15 0.7341 0.019 . . . 62 ASP H . 62 ASP N 16360 1 46 . 3 2 63 63 GLU H H 1 . 3 2 63 63 GLU N N 15 0.6883 0.0167 . . . 63 GLU H . 63 GLU N 16360 1 47 . 3 2 64 64 ASN H H 1 . 3 2 64 64 ASN N N 15 0.7849 0.0237 . . . 64 ASN H . 64 ASN N 16360 1 48 . 3 2 65 65 GLY H H 1 . 3 2 65 65 GLY N N 15 0.7529 0.0219 . . . 65 GLY H . 65 GLY N 16360 1 49 . 3 2 66 66 ASP H H 1 . 3 2 66 66 ASP N N 15 0.7067 0.0201 . . . 66 ASP H . 66 ASP N 16360 1 50 . 3 2 67 67 GLY H H 1 . 3 2 67 67 GLY N N 15 0.7066 0.0201 . . . 67 GLY H . 67 GLY N 16360 1 51 . 3 2 68 68 GLU H H 1 . 3 2 68 68 GLU N N 15 0.6585 0.0197 . . . 68 GLU H . 68 GLU N 16360 1 52 . 3 2 69 69 VAL H H 1 . 3 2 69 69 VAL N N 15 0.7779 0.041 . . . 69 VAL H . 69 VAL N 16360 1 53 . 3 2 70 70 ASP H H 1 . 3 2 70 70 ASP N N 15 0.7586 0.0307 . . . 70 ASP H . 70 ASP N 16360 1 54 . 3 2 71 71 PHE H H 1 . 3 2 71 71 PHE N N 15 0.8419 0.0394 . . . 71 PHE H . 71 PHE N 16360 1 55 . 3 2 72 72 GLN H H 1 . 3 2 72 72 GLN N N 15 0.7342 0.0194 . . . 72 GLN H . 72 GLN N 16360 1 56 . 3 2 73 73 GLU H H 1 . 3 2 73 73 GLU N N 15 0.736 0.0207 . . . 73 GLU H . 73 GLU N 16360 1 57 . 3 2 74 74 TYR H H 1 . 3 2 74 74 TYR N N 15 0.7832 0.0286 . . . 74 TYR H . 74 TYR N 16360 1 58 . 3 2 75 75 VAL H H 1 . 3 2 75 75 VAL N N 15 0.7355 0.0207 . . . 75 VAL H . 75 VAL N 16360 1 59 . 3 2 78 78 VAL H H 1 . 3 2 78 78 VAL N N 15 0.8082 0.0221 . . . 78 VAL H . 78 VAL N 16360 1 60 . 3 2 79 79 ALA H H 1 . 3 2 79 79 ALA N N 15 0.8287 0.025 . . . 79 ALA H . 79 ALA N 16360 1 61 . 3 2 81 81 LEU H H 1 . 3 2 81 81 LEU N N 15 0.8463 0.031 . . . 81 LEU H . 81 LEU N 16360 1 62 . 3 2 82 82 THR H H 1 . 3 2 82 82 THR N N 15 0.775 0.0273 . . . 82 THR H . 82 THR N 16360 1 63 . 3 2 84 84 ALA H H 1 . 3 2 84 84 ALA N N 15 0.7935 0.022 . . . 84 ALA H . 84 ALA N 16360 1 64 . 3 2 85 85 CYS H H 1 . 3 2 85 85 CYS N N 15 0.8374 0.0288 . . . 85 CYS H . 85 CYS N 16360 1 65 . 3 2 90 90 TRP H H 1 . 3 2 90 90 TRP N N 15 0.785 0.0249 . . . 90 TRP H . 90 TRP N 16360 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_noe_list_2 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_list_2 _Heteronucl_NOE_list.Entry_ID 16360 _Heteronucl_NOE_list.ID 2 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 500 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 2.00E+05 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 13 '2D 1H-15N HSQC based NOE' . . . 16360 2 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 3 2 2 2 SER H H 1 . 3 2 2 2 SER N N 15 0.3646 0.0559 . . . 2 SER H . 2 SER N 16360 2 2 . 3 2 3 3 GLU H H 1 . 3 2 3 3 GLU N N 15 0.5801 0.0801 . . . 3 GLU H . 3 GLU N 16360 2 3 . 3 2 4 4 LEU H H 1 . 3 2 4 4 LEU N N 15 0.7442 0.0443 . . . 4 LEU H . 4 LEU N 16360 2 4 . 3 2 5 5 GLU H H 1 . 3 2 5 5 GLU N N 15 0.8154 0.0522 . . . 5 GLU H . 5 GLU N 16360 2 5 . 3 2 6 6 THR H H 1 . 3 2 6 6 THR N N 15 0.7565 0.0480 . . . 6 THR H . 6 THR N 16360 2 6 . 3 2 7 7 ALA H H 1 . 3 2 7 7 ALA N N 15 0.7860 0.0440 . . . 7 ALA H . 7 ALA N 16360 2 7 . 3 2 8 8 MET H H 1 . 3 2 8 8 MET N N 15 0.7944 0.0486 . . . 8 MET H . 8 MET N 16360 2 8 . 3 2 10 10 THR H H 1 . 3 2 10 10 THR N N 15 0.8112 0.0469 . . . 10 THR H . 10 THR N 16360 2 9 . 3 2 12 12 ILE H H 1 . 3 2 12 12 ILE N N 15 0.7548 0.0578 . . . 12 ILE H . 12 ILE N 16360 2 10 . 3 2 13 13 ASN H H 1 . 3 2 13 13 ASN N N 15 0.7884 0.0325 . . . 13 ASN H . 13 ASN N 16360 2 11 . 3 2 14 14 VAL H H 1 . 3 2 14 14 VAL N N 15 0.7634 0.0284 . . . 14 VAL H . 14 VAL N 16360 2 12 . 3 2 15 15 PHE H H 1 . 3 2 15 15 PHE N N 15 0.7938 0.0403 . . . 15 PHE H . 15 PHE N 16360 2 13 . 3 2 16 16 HIS H H 1 . 3 2 16 16 HIS N N 15 0.7463 0.0345 . . . 16 HIS H . 16 HIS N 16360 2 14 . 3 2 17 17 ALA H H 1 . 3 2 17 17 ALA N N 15 0.7490 0.0341 . . . 17 ALA H . 17 ALA N 16360 2 15 . 3 2 18 18 HIS H H 1 . 3 2 18 18 HIS N N 15 0.7460 0.0299 . . . 18 HIS H . 18 HIS N 16360 2 16 . 3 2 19 19 SER H H 1 . 3 2 19 19 SER N N 15 0.5441 0.0771 . . . 19 SER H . 19 SER N 16360 2 17 . 3 2 20 20 GLY H H 1 . 3 2 20 20 GLY N N 15 0.7681 0.0311 . . . 20 GLY H . 20 GLY N 16360 2 18 . 3 2 22 22 GLU H H 1 . 3 2 22 22 GLU N N 15 0.6464 0.0586 . . . 22 GLU H . 22 GLU N 16360 2 19 . 3 2 23 23 GLY H H 1 . 3 2 23 23 GLY N N 15 0.6561 0.0467 . . . 23 GLY H . 23 GLY N 16360 2 20 . 3 2 24 24 ASP H H 1 . 3 2 24 24 ASP N N 15 0.7156 0.0251 . . . 24 ASP H . 24 ASP N 16360 2 21 . 3 2 25 25 LYS H H 1 . 3 2 25 25 LYS N N 15 0.7071 0.0571 . . . 25 LYS H . 25 LYS N 16360 2 22 . 3 2 26 26 TYR H H 1 . 3 2 26 26 TYR N N 15 0.7278 0.0417 . . . 26 TYR H . 26 TYR N 16360 2 23 . 3 2 27 27 LYS H H 1 . 3 2 27 27 LYS N N 15 0.7483 0.0357 . . . 27 LYS H . 27 LYS N 16360 2 24 . 3 2 28 28 LEU H H 1 . 3 2 28 28 LEU N N 15 0.7843 0.0583 . . . 28 LEU H . 28 LEU N 16360 2 25 . 3 2 29 29 SER H H 1 . 3 2 29 29 SER N N 15 0.6991 0.0375 . . . 29 SER H . 29 SER N 16360 2 26 . 3 2 30 30 LYS H H 1 . 3 2 30 30 LYS N N 15 0.7800 0.0505 . . . 30 LYS H . 30 LYS N 16360 2 27 . 3 2 31 31 LYS H H 1 . 3 2 31 31 LYS N N 15 0.7822 0.0328 . . . 31 LYS H . 31 LYS N 16360 2 28 . 3 2 33 33 LEU H H 1 . 3 2 33 33 LEU N N 15 0.7871 0.0295 . . . 33 LEU H . 33 LEU N 16360 2 29 . 3 2 34 34 LYS H H 1 . 3 2 34 34 LYS N N 15 0.7441 0.0319 . . . 34 LYS H . 34 LYS N 16360 2 30 . 3 2 35 35 GLU H H 1 . 3 2 35 35 GLU N N 15 0.8159 0.0388 . . . 35 GLU H . 35 GLU N 16360 2 31 . 3 2 36 36 LEU H H 1 . 3 2 36 36 LEU N N 15 0.7534 0.0255 . . . 36 LEU H . 36 LEU N 16360 2 32 . 3 2 37 37 LEU H H 1 . 3 2 37 37 LEU N N 15 0.7931 0.0464 . . . 37 LEU H . 37 LEU N 16360 2 33 . 3 2 38 38 GLN H H 1 . 3 2 38 38 GLN N N 15 0.7646 0.0438 . . . 38 GLN H . 38 GLN N 16360 2 34 . 3 2 39 39 THR H H 1 . 3 2 39 39 THR N N 15 0.7629 0.0374 . . . 39 THR H . 39 THR N 16360 2 35 . 3 2 40 40 GLU H H 1 . 3 2 40 40 GLU N N 15 0.8651 0.0475 . . . 40 GLU H . 40 GLU N 16360 2 36 . 3 2 41 41 LEU H H 1 . 3 2 41 41 LEU N N 15 0.7247 0.0477 . . . 41 LEU H . 41 LEU N 16360 2 37 . 3 2 42 42 SER H H 1 . 3 2 42 42 SER N N 15 0.7046 0.0374 . . . 42 SER H . 42 SER N 16360 2 38 . 3 2 43 43 GLY H H 1 . 3 2 43 43 GLY N N 15 0.7743 0.0708 . . . 43 GLY H . 43 GLY N 16360 2 39 . 3 2 45 45 LEU H H 1 . 3 2 45 45 LEU N N 15 0.7645 0.0531 . . . 45 LEU H . 45 LEU N 16360 2 40 . 3 2 46 46 ASP H H 1 . 3 2 46 46 ASP N N 15 0.7305 0.0309 . . . 46 ASP H . 46 ASP N 16360 2 41 . 3 2 47 47 ALA H H 1 . 3 2 47 47 ALA N N 15 0.7093 0.0314 . . . 47 ALA H . 47 ALA N 16360 2 42 . 3 2 48 48 GLN H H 1 . 3 2 48 48 GLN N N 15 0.6566 0.0246 . . . 48 GLN H . 48 GLN N 16360 2 43 . 3 2 50 50 ASP H H 1 . 3 2 50 50 ASP N N 15 0.7577 0.0272 . . . 50 ASP H . 50 ASP N 16360 2 44 . 3 2 51 51 VAL H H 1 . 3 2 51 51 VAL N N 15 0.7628 0.0297 . . . 51 VAL H . 51 VAL N 16360 2 45 . 3 2 52 52 ASP H H 1 . 3 2 52 52 ASP N N 15 0.7355 0.0286 . . . 52 ASP H . 52 ASP N 16360 2 46 . 3 2 53 53 ALA H H 1 . 3 2 53 53 ALA N N 15 0.7902 0.0272 . . . 53 ALA H . 53 ALA N 16360 2 47 . 3 2 54 54 VAL H H 1 . 3 2 54 54 VAL N N 15 0.7520 0.0355 . . . 54 VAL H . 54 VAL N 16360 2 48 . 3 2 55 55 ASP H H 1 . 3 2 55 55 ASP N N 15 0.7335 0.0290 . . . 55 ASP H . 55 ASP N 16360 2 49 . 3 2 56 56 LYS H H 1 . 3 2 56 56 LYS N N 15 0.7759 0.0299 . . . 56 LYS H . 56 LYS N 16360 2 50 . 3 2 58 58 MET H H 1 . 3 2 58 58 MET N N 15 0.7884 0.0389 . . . 58 MET H . 58 MET N 16360 2 51 . 3 2 59 59 LYS H H 1 . 3 2 59 59 LYS N N 15 0.7707 0.0302 . . . 59 LYS H . 59 LYS N 16360 2 52 . 3 2 60 60 GLU H H 1 . 3 2 60 60 GLU N N 15 0.7141 0.0257 . . . 60 GLU H . 60 GLU N 16360 2 53 . 3 2 61 61 LEU H H 1 . 3 2 61 61 LEU N N 15 0.7796 0.0382 . . . 61 LEU H . 61 LEU N 16360 2 54 . 3 2 62 62 ASP H H 1 . 3 2 62 62 ASP N N 15 0.7701 0.0226 . . . 62 ASP H . 62 ASP N 16360 2 55 . 3 2 63 63 GLU H H 1 . 3 2 63 63 GLU N N 15 0.6892 0.0270 . . . 63 GLU H . 63 GLU N 16360 2 56 . 3 2 64 64 ASN H H 1 . 3 2 64 64 ASN N N 15 0.6690 0.0349 . . . 64 ASN H . 64 ASN N 16360 2 57 . 3 2 65 65 GLY H H 1 . 3 2 65 65 GLY N N 15 0.7275 0.0343 . . . 65 GLY H . 65 GLY N 16360 2 58 . 3 2 66 66 ASP H H 1 . 3 2 66 66 ASP N N 15 0.7605 0.0321 . . . 66 ASP H . 66 ASP N 16360 2 59 . 3 2 67 67 GLY H H 1 . 3 2 67 67 GLY N N 15 0.6848 0.0287 . . . 67 GLY H . 67 GLY N 16360 2 60 . 3 2 68 68 GLU H H 1 . 3 2 68 68 GLU N N 15 0.6896 0.0324 . . . 68 GLU H . 68 GLU N 16360 2 61 . 3 2 69 69 VAL H H 1 . 3 2 69 69 VAL N N 15 0.7025 0.0533 . . . 69 VAL H . 69 VAL N 16360 2 62 . 3 2 70 70 ASP H H 1 . 3 2 70 70 ASP N N 15 0.7937 0.0375 . . . 70 ASP H . 70 ASP N 16360 2 63 . 3 2 71 71 PHE H H 1 . 3 2 71 71 PHE N N 15 0.7645 0.0568 . . . 71 PHE H . 71 PHE N 16360 2 64 . 3 2 72 72 GLN H H 1 . 3 2 72 72 GLN N N 15 0.7741 0.0350 . . . 72 GLN H . 72 GLN N 16360 2 65 . 3 2 73 73 GLU H H 1 . 3 2 73 73 GLU N N 15 0.7918 0.0392 . . . 73 GLU H . 73 GLU N 16360 2 66 . 3 2 74 74 TYR H H 1 . 3 2 74 74 TYR N N 15 0.8170 0.0479 . . . 74 TYR H . 74 TYR N 16360 2 67 . 3 2 75 75 VAL H H 1 . 3 2 75 75 VAL N N 15 0.8006 0.0271 . . . 75 VAL H . 75 VAL N 16360 2 68 . 3 2 76 76 VAL H H 1 . 3 2 76 76 VAL N N 15 0.7584 0.0227 . . . 76 VAL H . 76 VAL N 16360 2 69 . 3 2 78 78 VAL H H 1 . 3 2 78 78 VAL N N 15 0.7781 0.0333 . . . 78 VAL H . 78 VAL N 16360 2 70 . 3 2 79 79 ALA H H 1 . 3 2 79 79 ALA N N 15 0.7717 0.0349 . . . 79 ALA H . 79 ALA N 16360 2 71 . 3 2 81 81 LEU H H 1 . 3 2 81 81 LEU N N 15 0.7824 0.0467 . . . 81 LEU H . 81 LEU N 16360 2 72 . 3 2 82 82 THR H H 1 . 3 2 82 82 THR N N 15 0.8260 0.0447 . . . 82 THR H . 82 THR N 16360 2 73 . 3 2 84 84 ALA H H 1 . 3 2 84 84 ALA N N 15 0.7730 0.0402 . . . 84 ALA H . 84 ALA N 16360 2 74 . 3 2 85 85 CYS H H 1 . 3 2 85 85 CYS N N 15 0.7409 0.0352 . . . 85 CYS H . 85 CYS N 16360 2 75 . 3 2 86 86 ASN H H 1 . 3 2 86 86 ASN N N 15 0.7729 0.0366 . . . 86 ASN H . 86 ASN N 16360 2 76 . 3 2 89 89 PHE H H 1 . 3 2 89 89 PHE N N 15 0.8114 0.0363 . . . 89 PHE H . 89 PHE N 16360 2 77 . 3 2 90 90 TRP H H 1 . 3 2 90 90 TRP N N 15 0.7612 0.0367 . . . 90 TRP H . 90 TRP N 16360 2 78 . 3 2 93 93 SER H H 1 . 3 2 93 93 SER N N 15 -2.2262 0.0325 . . . 93 SER H . 93 SER N 16360 2 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_noe_list_3 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_list_3 _Heteronucl_NOE_list.Entry_ID 16360 _Heteronucl_NOE_list.ID 3 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 700 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 5.00E+05 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 13 '2D 1H-15N HSQC based NOE' . . . 16360 3 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 3 2 2 2 SER H H 1 . 3 2 2 2 SER N N 15 0.5876 0.0275 . . . 2 SER H . 2 SER N 16360 3 2 . 3 2 3 3 GLU H H 1 . 3 2 3 3 GLU N N 15 0.7658 0.0382 . . . 3 GLU H . 3 GLU N 16360 3 3 . 3 2 4 4 LEU H H 1 . 3 2 4 4 LEU N N 15 0.7322 0.0165 . . . 4 LEU H . 4 LEU N 16360 3 4 . 3 2 5 5 GLU H H 1 . 3 2 5 5 GLU N N 15 0.7577 0.0197 . . . 5 GLU H . 5 GLU N 16360 3 5 . 3 2 6 6 THR H H 1 . 3 2 6 6 THR N N 15 0.7810 0.0158 . . . 6 THR H . 6 THR N 16360 3 6 . 3 2 7 7 ALA H H 1 . 3 2 7 7 ALA N N 15 0.7483 0.0134 . . . 7 ALA H . 7 ALA N 16360 3 7 . 3 2 8 8 MET H H 1 . 3 2 8 8 MET N N 15 0.8007 0.0128 . . . 8 MET H . 8 MET N 16360 3 8 . 3 2 10 10 THR H H 1 . 3 2 10 10 THR N N 15 0.7994 0.0170 . . . 10 THR H . 10 THR N 16360 3 9 . 3 2 12 12 ILE H H 1 . 3 2 12 12 ILE N N 15 0.7941 0.0135 . . . 12 ILE H . 12 ILE N 16360 3 10 . 3 2 13 13 ASN H H 1 . 3 2 13 13 ASN N N 15 0.8074 0.0129 . . . 13 ASN H . 13 ASN N 16360 3 11 . 3 2 14 14 VAL H H 1 . 3 2 14 14 VAL N N 15 0.7869 0.0097 . . . 14 VAL H . 14 VAL N 16360 3 12 . 3 2 15 15 PHE H H 1 . 3 2 15 15 PHE N N 15 0.7980 0.0112 . . . 15 PHE H . 15 PHE N 16360 3 13 . 3 2 16 16 HIS H H 1 . 3 2 16 16 HIS N N 15 0.7447 0.0133 . . . 16 HIS H . 16 HIS N 16360 3 14 . 3 2 17 17 ALA H H 1 . 3 2 17 17 ALA N N 15 0.7752 0.0094 . . . 17 ALA H . 17 ALA N 16360 3 15 . 3 2 18 18 HIS H H 1 . 3 2 18 18 HIS N N 15 0.7626 0.0110 . . . 18 HIS H . 18 HIS N 16360 3 16 . 3 2 19 19 SER H H 1 . 3 2 19 19 SER N N 15 0.7455 0.0557 . . . 19 SER H . 19 SER N 16360 3 17 . 3 2 20 20 GLY H H 1 . 3 2 20 20 GLY N N 15 0.7247 0.0113 . . . 20 GLY H . 20 GLY N 16360 3 18 . 3 2 22 22 GLU H H 1 . 3 2 22 22 GLU N N 15 0.6082 0.0162 . . . 22 GLU H . 22 GLU N 16360 3 19 . 3 2 23 23 GLY H H 1 . 3 2 23 23 GLY N N 15 0.6244 0.0114 . . . 23 GLY H . 23 GLY N 16360 3 20 . 3 2 24 24 ASP H H 1 . 3 2 24 24 ASP N N 15 0.6940 0.0085 . . . 24 ASP H . 24 ASP N 16360 3 21 . 3 2 25 25 LYS H H 1 . 3 2 25 25 LYS N N 15 0.6905 0.0143 . . . 25 LYS H . 25 LYS N 16360 3 22 . 3 2 26 26 TYR H H 1 . 3 2 26 26 TYR N N 15 0.7225 0.0111 . . . 26 TYR H . 26 TYR N 16360 3 23 . 3 2 27 27 LYS H H 1 . 3 2 27 27 LYS N N 15 0.7268 0.0110 . . . 27 LYS H . 27 LYS N 16360 3 24 . 3 2 28 28 LEU H H 1 . 3 2 28 28 LEU N N 15 0.7515 0.0124 . . . 28 LEU H . 28 LEU N 16360 3 25 . 3 2 29 29 SER H H 1 . 3 2 29 29 SER N N 15 0.6609 0.0098 . . . 29 SER H . 29 SER N 16360 3 26 . 3 2 30 30 LYS H H 1 . 3 2 30 30 LYS N N 15 0.7656 0.0123 . . . 30 LYS H . 30 LYS N 16360 3 27 . 3 2 31 31 LYS H H 1 . 3 2 31 31 LYS N N 15 0.7644 0.0094 . . . 31 LYS H . 31 LYS N 16360 3 28 . 3 2 33 33 LEU H H 1 . 3 2 33 33 LEU N N 15 0.7792 0.0096 . . . 33 LEU H . 33 LEU N 16360 3 29 . 3 2 34 34 LYS H H 1 . 3 2 34 34 LYS N N 15 0.8008 0.0099 . . . 34 LYS H . 34 LYS N 16360 3 30 . 3 2 35 35 GLU H H 1 . 3 2 35 35 GLU N N 15 0.7560 0.0107 . . . 35 GLU H . 35 GLU N 16360 3 31 . 3 2 36 36 LEU H H 1 . 3 2 36 36 LEU N N 15 0.7766 0.0101 . . . 36 LEU H . 36 LEU N 16360 3 32 . 3 2 37 37 LEU H H 1 . 3 2 37 37 LEU N N 15 0.7634 0.0112 . . . 37 LEU H . 37 LEU N 16360 3 33 . 3 2 38 38 GLN H H 1 . 3 2 38 38 GLN N N 15 0.7655 0.0109 . . . 38 GLN H . 38 GLN N 16360 3 34 . 3 2 39 39 THR H H 1 . 3 2 39 39 THR N N 15 0.7357 0.0100 . . . 39 THR H . 39 THR N 16360 3 35 . 3 2 40 40 GLU H H 1 . 3 2 40 40 GLU N N 15 0.7429 0.0154 . . . 40 GLU H . 40 GLU N 16360 3 36 . 3 2 41 41 LEU H H 1 . 3 2 41 41 LEU N N 15 0.7822 0.0145 . . . 41 LEU H . 41 LEU N 16360 3 37 . 3 2 42 42 SER H H 1 . 3 2 42 42 SER N N 15 0.7352 0.0134 . . . 42 SER H . 42 SER N 16360 3 38 . 3 2 43 43 GLY H H 1 . 3 2 43 43 GLY N N 15 0.7679 0.0179 . . . 43 GLY H . 43 GLY N 16360 3 39 . 3 2 44 44 PHE H H 1 . 3 2 44 44 PHE N N 15 0.7271 0.0157 . . . 44 PHE H . 44 PHE N 16360 3 40 . 3 2 45 45 LEU H H 1 . 3 2 45 45 LEU N N 15 0.7777 0.0127 . . . 45 LEU H . 45 LEU N 16360 3 41 . 3 2 46 46 ASP H H 1 . 3 2 46 46 ASP N N 15 0.7242 0.0083 . . . 46 ASP H . 46 ASP N 16360 3 42 . 3 2 47 47 ALA H H 1 . 3 2 47 47 ALA N N 15 0.7117 0.0083 . . . 47 ALA H . 47 ALA N 16360 3 43 . 3 2 48 48 GLN H H 1 . 3 2 48 48 GLN N N 15 0.7139 0.0073 . . . 48 GLN H . 48 GLN N 16360 3 44 . 3 2 50 50 ASP H H 1 . 3 2 50 50 ASP N N 15 0.6820 0.0103 . . . 50 ASP H . 50 ASP N 16360 3 45 . 3 2 51 51 VAL H H 1 . 3 2 51 51 VAL N N 15 0.7375 0.0083 . . . 51 VAL H . 51 VAL N 16360 3 46 . 3 2 52 52 ASP H H 1 . 3 2 52 52 ASP N N 15 0.7840 0.0091 . . . 52 ASP H . 52 ASP N 16360 3 47 . 3 2 53 53 ALA H H 1 . 3 2 53 53 ALA N N 15 0.7828 0.0080 . . . 53 ALA H . 53 ALA N 16360 3 48 . 3 2 54 54 VAL H H 1 . 3 2 54 54 VAL N N 15 0.7653 0.0105 . . . 54 VAL H . 54 VAL N 16360 3 49 . 3 2 55 55 ASP H H 1 . 3 2 55 55 ASP N N 15 0.7764 0.0090 . . . 55 ASP H . 55 ASP N 16360 3 50 . 3 2 56 56 LYS H H 1 . 3 2 56 56 LYS N N 15 0.7544 0.0090 . . . 56 LYS H . 56 LYS N 16360 3 51 . 3 2 58 58 MET H H 1 . 3 2 58 58 MET N N 15 0.7641 0.0110 . . . 58 MET H . 58 MET N 16360 3 52 . 3 2 59 59 LYS H H 1 . 3 2 59 59 LYS N N 15 0.7275 0.0088 . . . 59 LYS H . 59 LYS N 16360 3 53 . 3 2 60 60 GLU H H 1 . 3 2 60 60 GLU N N 15 0.7112 0.0082 . . . 60 GLU H . 60 GLU N 16360 3 54 . 3 2 61 61 LEU H H 1 . 3 2 61 61 LEU N N 15 0.7603 0.0103 . . . 61 LEU H . 61 LEU N 16360 3 55 . 3 2 62 62 ASP H H 1 . 3 2 62 62 ASP N N 15 0.7238 0.0082 . . . 62 ASP H . 62 ASP N 16360 3 56 . 3 2 63 63 GLU H H 1 . 3 2 63 63 GLU N N 15 0.7040 0.0092 . . . 63 GLU H . 63 GLU N 16360 3 57 . 3 2 64 64 ASN H H 1 . 3 2 64 64 ASN N N 15 0.6935 0.0107 . . . 64 ASN H . 64 ASN N 16360 3 58 . 3 2 65 65 GLY H H 1 . 3 2 65 65 GLY N N 15 0.6771 0.0096 . . . 65 GLY H . 65 GLY N 16360 3 59 . 3 2 66 66 ASP H H 1 . 3 2 66 66 ASP N N 15 0.6834 0.0084 . . . 66 ASP H . 66 ASP N 16360 3 60 . 3 2 67 67 GLY H H 1 . 3 2 67 67 GLY N N 15 0.6855 0.0087 . . . 67 GLY H . 67 GLY N 16360 3 61 . 3 2 68 68 GLU H H 1 . 3 2 68 68 GLU N N 15 0.7086 0.0092 . . . 68 GLU H . 68 GLU N 16360 3 62 . 3 2 69 69 VAL H H 1 . 3 2 69 69 VAL N N 15 0.7375 0.0144 . . . 69 VAL H . 69 VAL N 16360 3 63 . 3 2 70 70 ASP H H 1 . 3 2 70 70 ASP N N 15 0.7384 0.0123 . . . 70 ASP H . 70 ASP N 16360 3 64 . 3 2 71 71 PHE H H 1 . 3 2 71 71 PHE N N 15 0.7506 0.0146 . . . 71 PHE H . 71 PHE N 16360 3 65 . 3 2 72 72 GLN H H 1 . 3 2 72 72 GLN N N 15 0.7673 0.0101 . . . 72 GLN H . 72 GLN N 16360 3 66 . 3 2 73 73 GLU H H 1 . 3 2 73 73 GLU N N 15 0.7765 0.0103 . . . 73 GLU H . 73 GLU N 16360 3 67 . 3 2 74 74 TYR H H 1 . 3 2 74 74 TYR N N 15 0.7972 0.0122 . . . 74 TYR H . 74 TYR N 16360 3 68 . 3 2 75 75 VAL H H 1 . 3 2 75 75 VAL N N 15 0.8053 0.0105 . . . 75 VAL H . 75 VAL N 16360 3 69 . 3 2 76 76 VAL H H 1 . 3 2 76 76 VAL N N 15 0.8013 0.0093 . . . 76 VAL H . 76 VAL N 16360 3 70 . 3 2 78 78 VAL H H 1 . 3 2 78 78 VAL N N 15 0.7682 0.0097 . . . 78 VAL H . 78 VAL N 16360 3 71 . 3 2 79 79 ALA H H 1 . 3 2 79 79 ALA N N 15 0.8110 0.0098 . . . 79 ALA H . 79 ALA N 16360 3 72 . 3 2 81 81 LEU H H 1 . 3 2 81 81 LEU N N 15 0.7867 0.0127 . . . 81 LEU H . 81 LEU N 16360 3 73 . 3 2 82 82 THR H H 1 . 3 2 82 82 THR N N 15 0.7900 0.0132 . . . 82 THR H . 82 THR N 16360 3 74 . 3 2 84 84 ALA H H 1 . 3 2 84 84 ALA N N 15 0.7786 0.0117 . . . 84 ALA H . 84 ALA N 16360 3 75 . 3 2 85 85 CYS H H 1 . 3 2 85 85 CYS N N 15 0.7800 0.0115 . . . 85 CYS H . 85 CYS N 16360 3 76 . 3 2 86 86 ASN H H 1 . 3 2 86 86 ASN N N 15 0.7478 0.0154 . . . 86 ASN H . 86 ASN N 16360 3 77 . 3 2 89 89 PHE H H 1 . 3 2 89 89 PHE N N 15 0.7605 0.0117 . . . 89 PHE H . 89 PHE N 16360 3 78 . 3 2 90 90 TRP H H 1 . 3 2 90 90 TRP N N 15 0.7591 0.0105 . . . 90 TRP H . 90 TRP N 16360 3 79 . 3 2 92 92 ASN H H 1 . 3 2 92 92 ASN N N 15 0.2046 0.0213 . . . 92 ASN H . 92 ASN N 16360 3 80 . 3 2 93 93 SER H H 1 . 3 2 93 93 SER N N 15 -0.7869 0.0050 . . . 93 SER H . 93 SER N 16360 3 stop_ save_